Vitas-M small molecule compound
(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-4,5-dimethylphenyl)prop-2-en-1-one
Catalog ID
STK856332
SMILES O=C(c1cc(C)c(cc1O)C)/C=C/c1ccc2c(c1)OCCO2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H18O4 MW 310.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18O4/c1-12-9-15(17(21)10-13(12)2)16(20)5-3-14-4-6-18-19(11-14)23-8-7-22-18/h3-6,9-11,21H,7-8H2,1-2H3/b5-3+InChIKey
CJFLTJONXLEPQP-HWKANZROSA-NSynonyms
96755-10-1(2E)3(23dihydro14benzodioxin6yl)1(2hydroxy45dimethylphenyl)prop2en1one
(E)3(23DIHYDRO14BENZODIOXIN6YL)1(2HYDROXY45DIMETHYLPHENYL)PROP2EN1ONE
(E)3(23dihydrobenzo(b)(14)dioxin6yl)1(2hydroxy45dimethylphenyl)prop2en1one
96755101
CC1=C(C=C(C(=C1)C(=O)C=CC2=CC3=C(C=C2)OCCO3)O)C
InChI=1SC19H18O4c112915(17(21)1013(12)2)16(20)5314461819(1114)23872218h3691121H78H212H3b53+
MFCD00192892
O=C(c1cc(C)c(cc1O)C)C=Cc1ccc2c(c1)OCCO2
ZINC000005175294
ZINC05175294
ZINC5175294
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